RefChem:328084
TL;DR: RefChem:328084 (CAS 116870-96-3) is a chemical compound with molecular formula C19H21ClN4O and molecular weight 356.14038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile;hydrochloride
Also Known As: 3-(2-Amino-5-cyanophenyl)-2-(2-ethylaminoethyl)isoindolin-1-one monohydrochloride, Benzonitrile, 4-amino-3-(2-(2-(ethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, monohydrochloride, 4-amino-3-[2-[2-(ethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile hydrochloride, 4-Amino-3-{2-[2-(ethylamino)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}benzonitrile--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C19H21ClN4O |
| Molecular Weight | 356.14038 g/mol |
| XLogP | 2.71698 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.14038 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | CCNCCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl |
| InChIKey | MMXVVMRRANTFRT-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:328084
Property Insights of RefChem:328084
The XLogP value of 2.71698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328084. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328084. Following Lipinski's Rule of Five, RefChem:328084 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:328084?
The CAS number of RefChem:328084 is 116870-96-3.
What is the molecular formula of RefChem:328084?
The molecular formula of RefChem:328084 is C19H21ClN4O.
What is the molecular weight of RefChem:328084?
The molecular weight of RefChem:328084 is 356.14038 g/mol.
Where can I buy RefChem:328084?
You can request a quote for RefChem:328084 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:328084?
Yes, CoreyChem provides custom synthesis services for RefChem:328084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.